Evidence map›Paper›PMID 35643991›Full record

ArticleJournal of molecular modeling2022

Spectroscopic constants and anharmonic force field of dithioformic acid and its isomers: a theoretical study.

Weixiu Pang, Xiaomin Song, Yunbin Sun, Meishan Wang

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed
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1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

4 authors.

Weixiu PangDepartment of Physics, Baotou Teacher's College, Baotou, 014030, China.
Xiaomin SongSchool of Physics and Optoelectronics Engineering, Ludong University, Yantai, 264025, China.
Yunbin SunDepartment of Physics, Baotou Teacher's College, Baotou, 014030, China.
Meishan WangSchool of Physics and Optoelectronics Engineering, Ludong University, Yantai, 264025, China. mswang1971@163.com.ORCID http://orcid.org/0000-0001-8085-2657

Funding

National Natural Science Foundation of China Grant No.11474142Natural Science Foundation of Inner Mongolia Grant No. 2020MS01023Natural Science Foundation of Shandong Province Grant No. ZR2020MA079
6 · The paper itself

Abstract

The potential astronomical interest dithioformic acid (trans-HC(= S)SH) exists five isomers and has received considerable attention of astronomical observation in recent years. The different positions of H atoms of five isomers lead to diverse point groups, dipole moments, and spectroscopic constants. The anharmonic force field and spectroscopic constants of them are calculated using CCSD(T) and B3LYP employing correlation consistent basis sets. Molecular structures, dipole moments, rotational constants, and fundamental frequencies of trans-HC(= S)SH are compared with the available experimental data. The B3LYP/Gen = 5 and CCSD(T)/Gen = Q results can reproduce them well. Molecular structures, dipole moments, relative energies, spectroscopic constants of cis-HC(= S)SH, and dithiohydroxy carbene (DTHC) are also calculated. The new data obtained in this study are expected to guide the future high resolution experimental work and to assist astronomical search for CH

Indexed as

Anharmonic force fieldCH2S2 isomersMolecular structuresSpectroscopic constants

Identifiers

PMID35643991

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